COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532624
Chemical Name: N-[3-({1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}carbonyl)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)c1cccc(c1)NC(=O)C)CC

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Molecular Weight: 463.62
Empirical Formula: C28H37N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.597
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 72
Number of rings: 4

     

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